N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

C27H35N3O3 — CID 16989225

About N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide

N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (PubChem CID 16989225) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
• PubChem CID: 16989225
• Molecular Formula: C27H35N3O3
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.27
• IUPAC Name: N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
• SMILES: COc1cccc(OCCCCn2c(CCCCCNC(=O)C3CC3)nc3ccccc32)c1
• InChI: InChI=1S/C27H35N3O3/c1-32-22-10-9-11-23(20-22)33-19-8-7-18-30-25-13-5-4-12-24(25)29-26(30)14-3-2-6-17-28-27(31)21-15-16-21/h4-5,9-13,20-21H,2-3,6-8,14-19H2,1H3,(H,28,31)
• InChIKey: RNUMZRQFCCBDOD-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide (CID 16989225) is N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is COc1cccc(OCCCCn2c(CCCCCNC(=O)C3CC3)nc3ccccc32)c1.

What is the InChIKey of N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

The InChIKey is RNUMZRQFCCBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-32-22-10-9-11-23(20-22)33-19-8-7-18-30-25-13-5-4-12-24(25)29-26(30)14-3-2-6-17-28-27(31)21-15-16-21/h4-5,9-13,20-21H,2-3,6-8,14-19H2,1H3,(H,28,31).

What are the key properties of N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide?

N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide has a molecular weight of 449.60 g/mol, XLogP of 5.14, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide is sourced from PubChem (CID 16989225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).